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DOE OSTI2022

Anharmonic Cation–Anion Coupling Dynamics Assisted Lithium‐Ion Diffusion in Sulfide Solid Electrolytes

Abstract Sulfide‐based lithium superionic conductors often show higher Li‐ion conductivity than other types of electrolyte materials. This work unveils a unique Li‐ion conductive behavior in these materials through the perspective of anharmonic coupling assisted Li‐ion diffusion. Li hopping events can happen simultaneously with various types of lattice dynamics, while only a statistically important synchronization of motions may indicate coupling. This method enables a direct evaluation of the coupling strength between these motions, which more fundamentally decides if a specific type of lattice motion is really anharmonically coupled to the Li hopping event and whether the coupling can facilitate the Li diffusion. By a new ab initio computational approach, this work unveils a unique phenomenon in prototype sulfide electrolytes in comparison with typical halide ones, that Li‐ion conduction can be boosted by the anharmonic coupling of low‐frequency Li phonon modes with high‐frequency anion stretching or flexing phonon modes, rather than the low‐frequency rotational modes. The coupling pushes Li ions toward the diffusion channels for reduced diffusion barriers. The result from the lower temperature range (≈0–300 K) of simulation can also be more relevant to the application of solid‐state batteries.

Chemistry↗

DOE OSTI2020

Similarity law and frequency scaling in low-pressure capacitive radio frequency plasmas

We verify the similarity law (SL) and show a violation of frequency scaling (f-scaling) in low-pressure capacitive radio frequency (rf) plasmas via fully kinetic particle-in-cell simulations. The SL scaling relations for electron density and electron power absorption are first confirmed in similar rf discharges. Based on these results, with only the driving frequency varied, the f-scaling for electron density is also validated, showing almost the same trend as the SL scaling, across most of the frequency regime. However, violations of the f-scaling are observed at lower frequencies, which are found to be relevant to the electron heating mode transition from stochastic to Ohmic heating. Electron kinetic invariance is illustrated for the SL and f-scaling being valid, respectively, whereas the electron kinetic variation is observed when the f-scaling is violated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Nonideal stability analysis of differentially rotating plasmas with global curvature effects

The linear stability of global nonaxisymmetric modes in differentially rotating, magnetized, nonideal plasma is critical to classifying turbulence and transport phenomena. We investigate the competition between the local magneto-rotational instability (MRI) and the magneto-curvature instability (MCI)—a distinct nonaxisymmetric low-frequency curvature-driven global branch that appears alongside MRI. Here, to accomplish this, we developed a nonideal global spectral method, which is validated against NIMROD code simulations. This spectral approach allows for the direct derivation of an extended effective potential formalism and a resistive Alfvénic resonance condition, providing a framework for direct analysis of energy contributions and confinement mechanisms. Our study reveals that the global, low-frequency MCI persists at low magnetic Reynolds numbers (Rm), whereas the localized, high-frequency MRI is stabilized by diffusive broadening of its structure around its Alfvénic resonances. Consequently, we identify the global MCI branch as the primary onset mechanism for nonaxisymmetric magnetohydrodynamic instability in systems with finite curvature, e.g., astrophysical rotators. We establish distinct parameter regimes for mode dominance: MCI prevails in geometrically moderate-thickness disks with intermediate curvature and radial gaps, while MRI dominates in thin, low-curvature disks with large radial gaps. Mode competition is also highly sensitive to the flow profile, particularly vorticity and its gradient, with nonuniform shear profiles exhibiting more robust instability due to flow curvature (i.e., the second derivative of the flow profile) and shear contributions. A key outcome is the development of spectral diagrams derived from the global spectral method. These diagrams comprehensively map dominant instabilities and their characteristics, offering a predictive tool for critical onset parameters (i.e., flow curvature, magnetic field, and Rm) and facilitating the interpretation of experimental and simulation results. Notably, these diagrams demonstrate that the global MCI is generally the sole unstable mode at the initial onset of nonaxisymmetric instability.

Haywood, Alexander [Princeton Univ., NJ (United St↗

DOE OSTI2023

A Hybrid Transmitter With Voltage-Mode SST Preemphasis and Current-Mode Transmitter Equalization Capable of Operating at 77 K in DUNE

The Deep Underground Neutrino Experiment (DUNE) requires that the front-end transmitters operate at cryogenic temperature and drive 25–35 m long twin-axial (twinax) cables. Here, to compensate the frequency-dependent channel loss over the long cables and alleviate the de-emphasizing of the low-frequency signal magnitude, a hybrid of a current-mode (CM) transmitter equalization (TXEQ) and a voltage-mode (VM) preemphasis is proposed. The TXEQ employs a finite-impulse response (FIR) filter to boost the high-frequency components while de-emphasizing the low-frequency signal magnitude, thereby flattening the overall channel frequency response and reducing the intersymbol interference (ISI). The VM preemphasis is proposed to further mitigate ISI by boosting the high-frequency portion without degrading the signal magnitude, allowing for high signal swing. The main driver utilizes VM source-series-terminated (SST) output stages, which offers higher signal swing and better power efficiency than the conventional CM logic (CML) drivers. To ensure the lifetime and reliability at cryogenic temperature, the transmitter is implemented in a 65-nm CMOS process operating at 1.1 V of supply voltage and employing transistors with larger than minimum lengths. Silicon measurement results at 77 K have validated the proposed approaches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Low flow characteristics for regulated and unregulated streams in North Carolina and prediction using climate signals

In this work, low flow statistics of regulated and unregulated streams in the state of North Carolina were updated with streamflow data through 2019. About 22% of the streams considered show a significant downward trend, but considerable low-frequency variability confounding trends. The relationship between regional index time series of groundwater-depth low flow and the Atlantic Multidecadal Oscillation (AMO) was examined to determine whether low-frequency climate modes can account for the long-term pattern in low flows. Consequently, a significant correlation was found between AMO and groundwater-depth low flow, such that positive AMO is associated with lower groundwater-depth low flow and vice versa, particularly for the Piedmont region. Predictive equations for annual low flows at the ecoregion level shows that springtime average streamflow and AMO were selected as the primary predictors of low flow for coastal and Piedmont regions, whereas springtime average streamflow and the November–December–January average Oceanic Niño Index were used as the primary predictors for the mountain region. The relative root mean square error (RMSE) of the disaggregated predictions to US Geologic Survey gauge locations was <23% at 79% of the stations, between 24% and 43% at 10% of the stations, and greater than 44% at 1% of the stations. The remaining 10% of stations showed large RMSEs. This latter percentage is characterized by smaller drainage basins and intermittent flows, suggesting the prediction models are not applicable to drainage basins smaller than roughly 20 square km and intermittent streams.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

An adaptive model-free robotic force control strategy for hydrodynamic real-time hybrid simulation of floating offshore wind turbines

Real-time hybrid simulation (RTHS) - a cyber-physical testing approach - promises to enhance the simulation fidelity of the model-scale experiments used to prototype floating offshore wind turbines (FOWTs). In hydrodynamic RTHS (hydro-RTHS), actuators emulate aerodynamic forces on model-scale FOWT specimens subjected to physical waves in a hydrodynamic laboratory. Robotic arms are promising candidates for actuation in hydro-RTHS due to their compact multi-degree-of-freedom (DOF) capabilities. Unlike classical RTHS for seismic applications, which typically relies on displacement control, hydro-RTHS requires 6-DOF force control on newly designed floating prototypes in a model-scale setting, which presents significant challenges, including modeling uncertainties, directional asymmetry, configuration drift, bandwidth limitations, and time-varying delays. To mitigate these constraints without extensive pre-test calibration, this study proposes an adaptive model-free robotic force control strategy that combines task-space explicit force control with a secondary joint-space pose-keeping task. The Adaptive Feedforward Compensator (AFC) is integrated into the force control loop to compensate for time-varying delay. Experimental testing was conducted using a Franka Emika Panda robotic arm with a 1:50 scale FOWT specimen under operational wind and wave conditions. Results demonstrate stable and consistent 6-DOF force tracking. Effective delay compensation was observed, with low-frequency delay reductions ranging from 71.4% to 91.8% and improvements in low-frequency surge force tracking of 25.0% to 52.1%. This study enhances robotic actuation performance in hydro-RTHS and introduces a force control strategy that supports reliable robotic operation in uncertain floating environments. Future work will explore disturbance-observer mechanisms to further enhance wave rejection capabilities under extreme wind and wave conditions.

17 WIND ENERGY↗

DOE OSTI2026

Coherent and Dynamic Small Polaron Delocalization in CuFeO 2

Small polarons remain a bottleneck in realizing efficient transition metal oxide devices. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain unclear. Here, we measure small polaron formation in CuFeO 2 using transient extreme ultraviolet reflection spectroscopy and compare to theoretical predictions in realistically parametrized Holstein models, demonstrating that polaron localization depends on coupling to high-frequency versus low-frequency phonon bath components. We measure small polaron formation on a comparable ∼100 fs timescale to other Fe(III) compounds. Dynamic delocalization of the polaron follows formation through a coherent lattice expansion between Fe–O layers and charge-sharing with surrounding Fe(IV) states. Simulations reveal two major factors dictate polaron formation timescales: phonon density and reorganization energy distributions between acoustic and optical modes, matching experimental findings. Our work shows how electronic-structural coupling in a polaron-host material can be leveraged to suppress polaronic effects for various applications.

Hematite↗

DOE OSTI2021

A simple generalization of the energy gap law for nonradiative processes

For more than 50 years, an elegant energy gap (EG) law developed by Englman and Jortner [Mol. Phys. 18, 145 (1970)] has served as a key theory to understand and model the nearly exponential dependence of nonradiative transition rates on the difference of energy between the initial and final states. This work revisits the theory, clarifies the key assumptions involved in the rate expression, and provides a generalization for the cases where the effects of temperature dependence and low-frequency modes cannot be ignored. For a specific example where the low-frequency vibrational and/or solvation responses can be modeled as an Ohmic spectral density, a simple generalization of the EG law is provided. Test calculations demonstrate that this generalized EG law brings significant improvement over the original EG law. Both the original and generalized EG laws are also compared with the stationary phase approximations developed for electron transfer theory, which suggests the possibility of a simple interpolation formula valid for any value of EG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Dynamical chemistry: non-equilibrium effective actions for reactive fluids

Abstract We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved—or to account for chemical reactions, non-conserved—currents to local-equilibrium parameters. The second method involves a higher-brow approach in which we attack the same problem from the perspective of non-equilibrium effective field theory (EFT). Non-equilibrium effective actions are defined using the in–in formalism on the Schwinger–Keldysh contour and are therefore capable of describing thermal fluctuations and dissipation as well as quantum effects. The non-equilibrium EFT approach is especially powerful as all terms in the action are fully specified by the symmetries of the system; in particular the second law of thermodynamics does not need to be included by hand, but is instead derived from the action itself. We find that the equations of motion generated by both methods agree, but the EFT approach yields certain advantages. To demonstrate some of these advantages we construct a quadratic action that is valid to very small distance scales—much smaller than the scales at which ordinary hydrodynamic theories break down. Such an action captures the full thermodynamic and quantum behavior of reactions and diffusion at quadratic order. Finally, taking the low-frequency and low-wavenumber limit, we reproduce the linearized version of the well-known reaction–diffusion equations as a final coherence check.

Mechanics↗

DOE OSTI2022

Gravitational wave timing array

We describe the design of a gravitational wave timing array, a novel scheme that can be used to search for low-frequency gravitational waves by monitoring continuous gravitational waves at higher frequencies. We show that observations of gravitational waves produced by Galactic binaries using a space-based detector like LISA provide sensitivity in the nanohertz to microhertz band. While the expected sensitivity is several magnitudes worse than what can be achieved by pulsar timing arrays, it supplements other recent proposals for gravitational wave searches in the microhertz regime. This regime is below the frequencies to which LISA is directly sensitive, and above the frequency range generally targeted by pulsar timing array searches. Here, the low-frequency extension of sensitivity does not require any experimental design change to space-based gravitational wave detectors, and can be achieved with the data products that would already be collected by them.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Technical note: Using long short-term memory models to fill data gaps in hydrological monitoring networks

Abstract. Quantifying the spatiotemporal dynamics in subsurface hydrological flows over a long time window usually employs a network of monitoring wells. However, such observations are often spatially sparse with potential temporal gaps due to poor quality or instrument failure. In this study, we explore the ability of recurrent neural networks to fill gaps in a spatially distributed time-series dataset. We use a well network that monitors the dynamic and heterogeneous hydrologic exchanges between the Columbia River and its adjacent groundwater aquifer at the U.S. Department of Energy's Hanford site. This 10-year-long dataset contains hourly temperature, specific conductance, and groundwater table elevation measurements from 42 wells with gaps of various lengths. We employ a long short-term memory (LSTM) model to capture the temporal variations in the observed system behaviors needed for gap filling. The performance of the LSTM-based gap-filling method was evaluated against a traditional autoregressive integrated moving average (ARIMA) method in terms of error statistics and accuracy in capturing the temporal patterns of river corridor wells with various dynamics signatures. Our study demonstrates that the ARIMA models yield better average error statistics, although they tend to have larger errors during time windows with abrupt changes or high-frequency (daily and subdaily) variations. The LSTM-based models excel in capturing both high-frequency and low-frequency (monthly and seasonal) dynamics. However, the inclusion of high-frequency fluctuations may also lead to overly dynamic predictions in time windows that lack such fluctuations. The LSTM can take advantage of the spatial information from neighboring wells to improve the gap-filling accuracy, especially for long gaps in system states that vary at subdaily scales. While LSTM models require substantial training data and have limited extrapolation power beyond the conditions represented in the training data, they afford great flexibility to account for the spatial correlations, temporal correlations, and nonlinearity in data without a priori assumptions. Thus, LSTMs provide effective alternatives to fill in data gaps in spatially distributed time-series observations characterized by multiple dominant frequencies of variability, which are essential for advancing our understanding of dynamic complex systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A simplified all-frequency stable formulation with an implicit Coulomb gauge

A potential-based finite element formulation has been developed in the past to circumvent the low-frequency breakdown issues commonly encountered in electromagnetic (EM) simulations of low-frequency and multiscale problems. In this formulation, the magnetic vector and electric scalar potentials have been employed to express the electric field and magnetic flux, leading to a set of two equations that represents all four Maxwell’s equations and the current continuity equation. To enforce the Coulomb gauge, an auxiliary potential has been introduced, which results in a total of three equations to be solved simultaneously. To reduce the number of equations and unknowns needed in a simulation, a simplified formulation is proposed in this paper to enforce the Coulomb gauge implicitly without the need for the auxiliary potential. A numerical example is given to demonstrate the accuracy of the proposed formulation.

Mekonnen, Minyechil↗

DOE OSTI2026

Nature of transonic sub-Alfvénic turbulence and density fluctuations in the near-Sun solar wind

Context. Recent Parker Solar Probe (PSP) measurements have revealed that solar wind (SW) turbulence transits from a subsonic to a transonic regime near the Sun, while remaining sub-Alfvénic. These observations call for a revision of the existing SW models, where turbulence is considered to be both subsonic and sub-Alfvénic. Aims. In this work, we introduce a new magnetohydrodynamic (MHD) model of transonic sub-Alfvénic turbulence (TsAT). Methods. We used 3D MHD simulations initialized with parameters measured by PSP to investigate the properties of the new near-Sun SW transonic turbulent regime. We then derived a reduced set of MHD equations in the transonic sub-Alfvénic limit to interpret our numerical results. Results. Our TsAT model shows that turbulence is effectively nearly incompressible (NI) and has a 2D + slab (quasi-2D) geometry not only in the subsonic limit, but also in the transonic regime, as long as it remains sub-Alfvénic, a condition essentially enforced everywhere in the heliosphere by the strong local magnetic field. These predictions are consistent with 3D MHD simulations, showing that transonic turbulence is dominated by low-frequency quasi-2D incompressible structures, while compressible fluctuations are a minor component corresponding to low-frequency slow modes and high-frequency fast modes. Conclusions. Our new TsAT model extends existing NI theories of turbulence, and is potentially relevant for the theoretical and numerical modeling of space and astrophysical plasmas, including the near-Sun SW, the solar corona, and the interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Gravitational waves from first-order phase transitions in Majoron models of neutrino mass

We show how the generation of right-handed neutrino masses in Majoron models may be associated with a first-order phase transition and accompanied by the production of a stochastic background of gravitational waves (GWs). We explore different energy scales with only renormalizable operators in the effective potential. If the phase transition occurs above the electroweak scale, the signal can be tested by future interferometers. We consider two possible energy scales for phase transitions below the electroweak scale. If the phase transition occurs at a GeV, the signal can be tested at LISA and provide a complementary cosmological probe to right-handed neutrino searches at the FASER detector. If the phase transition occurs below 100 keV, we find that the peak of the GW spectrum is two or more orders of magnitude below the putative NANOGrav GW signal at low frequencies, but well within reach of the SKA and THEIA experiments. We show how searches of very low frequency GWs are motivated by solutions to the Hubble tension in which ordinary neutrinos interact with the dark sector. We also present general calculations of the phase transition temperature and Euclidean action that apply beyond Majoron models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Modeling Impedance Caused by Ohmic Losses in High Surface Area Carbons in Polymer Electrolyte Fuel Cells

An analytical model for a blocking porous electrode is derived and used to predict how ohmic resistance inside micropores that host catalyst nanoparticles affects impedance. This paper revisits a widely used approach for estimating ionic conductivities of catalyst layers in fuel cells. An interfacial term associated with resistance in micropores is derived and added to the classical expression for the impedance of a blocking porous electrode at low frequency. The revised model predicts a physically realistic rise in the real component of the impedance at low frequency when reasonable pore dimensions and conductivities are used as inputs.

08 HYDROGEN↗

DOE OSTI2022

Gyrokinetic analysis of inter-edge localized mode transport mechanisms in a DIII-D pedestal

In this study, gyrokinetic simulations are used to study pedestal fluctuations for DIII-D discharge 174082 using the GENE code. Nonlinear local simulations indicate that electron heat flux has contributions from electron temperature gradient-driven transport but at levels insufficient to satisfy power balance. We show that microtearing modes (MTM) and neoclassical transport are likely to account for the remaining observed energy losses in the electron and ion channels, respectively. The MTM instabilities found in the simulations are consistent with the high-frequency fluctuations identified in the magnetic fluctuation data from Mirnov coils. The fluctuation data in this discharge also exhibit a low-frequency band of fluctuations. By modifying the equilibrium profiles and plasma β, simulations produce MHD modes, which may be responsible for these observed low-frequency fluctuations. We compare several metrics involving ratios of fluctuation amplitudes and transport quantities for both MTMs and MHD modes. This analysis suggests that the available data are consistent with the simultaneous activity of both MHD modes and MTMs provided that the former is limited largely to the particle transport channel.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Modulation of seismic noise near the San Jacinto fault in southern California: origin and observations of the cyclical time dependence and associated crustal properties

SUMMARY We examine the cyclic amplitude variation of seismic noise recorded by continuous three-component broad-band seismic data with durations spanning 91–713 d (2008–2011) from three different networks: Anza seismic network, IDA network and the transportable seismic array. These stations surround the San Jacinto Fault Zone (SJFZ) in southern California. We find the seismic noise amplitudes exhibit a cyclical variation between 0.3 and 7.2 Hz. The high-frequency (≥0.9 Hz) noise variations can be linked to human activity and are not a concern. Our primary interest is signals in the low frequencies (0.3–0.9 Hz), where the seismic noise is modulated by semi-diurnal tidal mode M2. These long-period (low-frequency) variations of seismic noise can be attributed to a temporal change of the ocean waves breaking at the shoreline, driven by ocean tidal loading. We focus on the M2 variation of seismic noise at f = 0.6 Hz, travelling distances of ∼92 km through the crust from offshore California to the inland Anza, California, region. Relative to the shoreline station, data from the inland stations show a phase lag of ∼ –12°, which we attribute to the cyclic change in M2 that can alter crustal seismic attenuation. We also find that for mode M2 at 0.6 Hz, the amplitude variations of the seismic quality factor (Q) depend on azimuth and varies from 0.22 per cent (southeast to northwest) to 1.28 per cent (northeast to southwest) with Q = 25 for Rayleigh waves. We propose the direction dependence of the Q variation at 0.6 Hz reflects the preferred orientation of subfaults parallel to the main faulting defined by the primarily N45°W strike of the SJFZ.

Geochemistry & Geophysics↗

DOE OSTI2025

Observations and seismoacoustic simulations of earthquake-generated infrasound waves in non-epicentral regions

We analysed infrasound waves associated with the Gyeongju earthquake (ML 5.8) that occurred on 2016 September 12, in the southeastern Korean Peninsula. For infrasound wave detection, the Progressive Multichannel Correlation method was applied to the infrasound data set recorded at seven arrays operating in South Korea at epicentral distances ranging from 178 to 472 km. Based on the back-projection method constrained by array-dependent celerity and azimuth deviation models, the source regions were identified in both the epicentral and non-epicentral regions. Remarkably, the non-epicentral secondary sources of this earthquake were located in regions with shallow water depths: (i) the western coastal area in the Yellow Sea and (ii) the shallow ocean basin and bank in the East Sea. The location results obtained from the earthquake could be corroborated through its foreshock (ML 5.1), yielding location results consistent with those of the main shock. The generation of infrasound waves over shallow water depths was fortuitously validated by direct recordings of dominant single-frequency (~0.3 Hz) infrasound waves at close range via temporary sensors near the ocean basin and bank. We interpreted that low-frequency infrasound signals could be generated from interactions among the ocean floor, shallow seawater and atmosphere. We performed numerical simulations of seismoacoustic fields to predict ground motions on the seafloor and acoustic transmission efficiency between the water and air interface. The simulations quantified the energy transfer through different media and clarified our observational results. We found that because this solid Earth‒water‒atmosphere coupled air wave has a relatively low frequency (~0.3 Hz), it can survive propagation over long distances compared with high-frequency infrasound waves generated in inland and mountain regions. In this study, we extend our understanding of water‒atmosphere coupling and the monitoring framework for earthquake-associated non-epicentral infrasound waves, encompassing not only inland ground shaking but also shallow sea regions located far from the epicentre.

Earthquake monitoring and test-ban treaty verifica↗